Department of Physics, Sant Longowal Institute of Engineering and Technology Longowal, Sangrur, Punjab 148 106, India.
Spectrochim Acta A Mol Biomol Spectrosc. 2013 Sep;113:286-90. doi: 10.1016/j.saa.2013.05.005. Epub 2013 May 14.
A short range force constant model has been applied using normal coordinates to investigate the Raman and the infrared wavenumbers in rare earth AVO4 compounds (A=Lu, Yb, Dy, Tb, Ce) having space group I41/a and symmetry C4h(6). The calculation of zone center phonons has been made by using four stretching and five bending force constants. The calculated Raman and infrared wavenumbers are in very good agreement with the observed ones. The present calculations interpret reasonably the mode assignment of 779 cm(-1) as Eg mode and 853 cm(-1) as Ag mode in case of LuVO4, which were assigned differently in earlier observation. The potential energy distribution has also been investigated for determining the significance of contribution from each force constant toward the Raman and the infrared wavenumbers.
采用正则坐标,应用短程力常数模型,研究了空间群为 I41/a 和对称性为 C4h(6) 的稀土 AVO4 化合物(A=Lu、Yb、Dy、Tb、Ce)的拉曼和红外波数。通过使用四个伸缩力常数和五个弯曲力常数,计算了晶带中心声子。计算出的拉曼和红外波数与观察值非常吻合。本计算合理地解释了 LuVO4 中 779 cm(-1) 的 Eg 模式和 853 cm(-1) 的 Ag 模式的模式分配,在早期观察中,这两种模式的分配方式不同。还研究了势能分布,以确定每个力常数对拉曼和红外波数的贡献的重要性。